1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone

C20H28O4Si — CID 86179759

IUPAC1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone
SMILESCCO[Si](CCc1ccc2ccccc2c1C(C)=O)(OCC)OCC
InChIInChI=1S/C20H28O4Si/c1-5-22-25(23-6-2,24-7-3)15-14-18-13-12-17-10-8-9-11-19(17)20(18)16(4)21/h8-13H,5-7,14-15H2,1-4H3
InChIKeySLPIMXOKISFXGC-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.63
Rot. Bonds10

About 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone

1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone (PubChem CID 86179759) has the molecular formula C20H28O4Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone
PubChem CID86179759
Molecular FormulaC20H28O4Si
Molecular Weight360.53 g/mol
Exact Mass360.18
IUPAC Name1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone
SMILESCCO[Si](CCc1ccc2ccccc2c1C(C)=O)(OCC)OCC
InChIInChI=1S/C20H28O4Si/c1-5-22-25(23-6-2,24-7-3)15-14-18-13-12-17-10-8-9-11-19(17)20(18)16(4)21/h8-13H,5-7,14-15H2,1-4H3
InChIKeySLPIMXOKISFXGC-UHFFFAOYSA-N
XLogP4.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone?
The IUPAC name of 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone (CID 86179759) is 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone is CCO[Si](CCc1ccc2ccccc2c1C(C)=O)(OCC)OCC.
What is the InChIKey of 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone?
The InChIKey is SLPIMXOKISFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4Si/c1-5-22-25(23-6-2,24-7-3)15-14-18-13-12-17-10-8-9-11-19(17)20(18)16(4)21/h8-13H,5-7,14-15H2,1-4H3.
What are the key properties of 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone?
1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone has a molecular weight of 360.53 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-triethoxysilylethyl)naphthalen-1-yl]ethanone is sourced from PubChem (CID 86179759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).